dimethyl 2-(1H-indol-1-ium-3-yl)but-2-enedioate

Systemtic Name: dimethyl 2-(1H-indol-1-ium-3-yl)but-2-enedioate Openeye Name: dimethyl 2-(1H-indol-1-ium-3-yl)but-2-enedioate CAS Name: 2-(1H-indol-1-ium-3-yl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1H-indol-1-ium-3-yl)but-2-enedioate Traditional Name: 2-(1H-indol-1-ium-3-yl)but-2-enedioic acid dimethyl ester Formula: C14H14NO4+ MolecularWeight: 260.26526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1=C[NH2+]C2=CC=CC=C21)C(=O)OC

Isomeric SMILES

COC(=O)C=C(C1=C[NH2+]C2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C14H13NO4/c1-18-13(16)7-10(14(17)19-2)11-8-15-12-6-4-3-5-9(11)12/h3-8,15H,1-2H3/p+1